Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SCD | O00767 | 4/20 | 0.33 |
| ▸ | IDH2 | P48735 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL794980 | 0.86 | GRIN2D (0.37) | CYP3A4SMN1; SMN2TSHRCYP2D6CYP1A2 | |
| SCHEMBL807882 | 0.80 | HRH3 (0.35) | CYP3A4SMN1; SMN2TSHRCYP2D6CYP1A2 | |
| SCHEMBL807886 | 0.76 | SCD (0.43) | CYP3A4SMN1; SMN2TSHRCYP2D6CYP1A2 | |
| SCHEMBL794819 | 0.76 | SCD (0.35) | CYP3A4SMN1; SMN2TSHRCYP2D6CYP1A2 | |
| SCHEMBL794456 | 0.75 | SCD (0.36) | CYP3A4SMN1; SMN2TSHRCYP2D6CYP1A2 | |
| SCHEMBL794132 | 0.75 | SCD (0.35) | CYP3A4SMN1; SMN2TSHRCYP2D6CYP1A2 | |
| SCHEMBL799014 | 0.75 | SCD (0.42) | CYP3A4SMN1; SMN2TSHRCYP2D6CYP1A2 | |
| SCHEMBL798795 | 0.75 | HRH3 (0.34) | CYP3A4SMN1; SMN2TSHRCYP2D6CYP1A2 | |
| SCHEMBL794303 | 0.74 | HTR3E (0.40) | MAPTMAPK1NPC1RAB9ASCD | |
| SCHEMBL15474198 | 0.73 | SCD (0.33) | SCD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012035011-A1 | PESTICIDAL ARYLPYRROLIDINES | BAYER CROPSCIENCE AG (DE) | 2012-03-22 | — | — | WO | disclosed |